ethyl 1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)cyclobutane-1-carboxylate

C16H24N2O3 — CID 79480407

IUPACethyl 1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(c2nc(C3CCCCCC3)no2)CCC1
InChIInChI=1S/C16H24N2O3/c1-2-20-15(19)16(10-7-11-16)14-17-13(18-21-14)12-8-5-3-4-6-9-12/h12H,2-11H2,1H3
InChIKeyYZAFAKAMYVBKBY-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.49
Rot. Bonds4

About ethyl 1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)cyclobutane-1-carboxylate

ethyl 1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)cyclobutane-1-carboxylate (PubChem CID 79480407) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl 1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)cyclobutane-1-carboxylate
PubChem CID79480407
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nameethyl 1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(c2nc(C3CCCCCC3)no2)CCC1
InChIInChI=1S/C16H24N2O3/c1-2-20-15(19)16(10-7-11-16)14-17-13(18-21-14)12-8-5-3-4-6-9-12/h12H,2-11H2,1H3
InChIKeyYZAFAKAMYVBKBY-UHFFFAOYSA-N
XLogP3.49
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carboxylate
CID 79471951
ethyl 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate
CID 79472027
ethyl 1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79471725
ethyl 1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclobutane-1-carboxylate
CID 116808530
ethyl 1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclobutane-1-carboxylate
CID 79472487
ethyl 1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]cyclobutane-1-carboxylate
CID 79617110
ethyl 1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate
CID 116704927
ethyl 1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]cyclobutane-1-carboxylate
CID 79953262
ethyl 1-[3-(3-ethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 115385428
ethyl 1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 116704720
[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine
CID 115450845
1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine
CID 65466489

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)cyclobutane-1-carboxylate?
The IUPAC name of ethyl 1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)cyclobutane-1-carboxylate (CID 79480407) is ethyl 1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)cyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)cyclobutane-1-carboxylate?
The canonical SMILES for ethyl 1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)cyclobutane-1-carboxylate is CCOC(=O)C1(c2nc(C3CCCCCC3)no2)CCC1.
What is the InChIKey of ethyl 1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)cyclobutane-1-carboxylate?
The InChIKey is YZAFAKAMYVBKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-2-20-15(19)16(10-7-11-16)14-17-13(18-21-14)12-8-5-3-4-6-9-12/h12H,2-11H2,1H3.
What are the key properties of ethyl 1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)cyclobutane-1-carboxylate?
ethyl 1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)cyclobutane-1-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)cyclobutane-1-carboxylate is sourced from PubChem (CID 79480407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).